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Ho6CoAg2

Alexandria ALEX

Alex-ID: agm003494522 · Space group: P2_1/c (#14)

Basic Information

Formula
Ho6CoAg2
Alex-ID
agm003494522
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
481.58
ų
Cell a
6.6427
Å
Cell b
7.3069
Å
Cell c
9.9331
Å
α angle
90.00
°
β angle
87.25
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6CoAg2
Ho
12.00 · 66.7%
Co
2.00 · 11.1%
Ag
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0831
eV/atom
Formation energy
-0.1494
eV/atom
Corrected total energy
-83.2846
eV
Raw total energy
-83.2846
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.7473
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

AB2C6_647_spg14

Decomposition

Ho4CoAg Ho HoAg

Computed at

2022-02-24 04:39:00.062159

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003494522).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm003494522
data_agm003494522
_cell_length_a     6.64269
_cell_length_b     7.30694
_cell_length_c     9.93308
_cell_angle_alpha  90.00000
_cell_angle_beta   87.25218
_cell_angle_gamma  90.00000
_cell_volume       481.57560
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ho1 Ho 0.88064 0.98541 0.25135 1.00000
  Ho2 Ho 0.81936 0.68988 0.54974 1.00000
  Ho3 Ho 0.83287 0.68478 0.94635 1.00000
  Ho4 Ho 0.66713 0.18478 0.55365 1.00000
  Ho5 Ho 0.68064 0.18988 0.95026 1.00000
  Ho6 Ho 0.61936 0.48541 0.24865 1.00000
  Ho7 Ho 0.11936 0.01459 0.74865 1.00000
  Ho8 Ho 0.18064 0.31012 0.45026 1.00000
  Ho9 Ho 0.16713 0.31522 0.05365 1.00000
  Ho10 Ho 0.33287 0.81522 0.44635 1.00000
  Ho11 Ho 0.31936 0.81012 0.04974 1.00000
  Ho12 Ho 0.38064 0.51459 0.75135 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Co2 Co 0.00000 0.00000 0.50000 1.00000
  Ag1 Ag 0.94695 0.39578 0.74563 1.00000
  Ag2 Ag 0.55305 0.89578 0.75437 1.00000
  Ag3 Ag 0.44695 0.10422 0.24563 1.00000
  Ag4 Ag 0.05305 0.60422 0.25437 1.00000
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